SCHEMBL21089182

SCHEMBL21089182

Nc1ccccc1-c1nc2c(-c3ccc(F)cc3)ccc(-c3ccc(F)cc3)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
IKBKB O14920 1/20 0.38
ALOX5 P09917 1/20 0.38
ENPP1 P22413 1/20 0.37
APP P05067 2/20 0.37
ADORA1 P30542 1/20 0.37
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21089512 0.88 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089180 0.83 APP (0.45) ALDH1A1MEN1NPC1KMT2ACDK5
SCHEMBL21089514 0.83 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089390 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089321 0.76 MAPT (0.45) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089326 0.73 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL397275 0.73 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2NPC1GAA
Ammonia Solution, Strong SCHEMBL28010893 0.71 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2NPC1GAA
SCHEMBL21089511 0.71 HPGD (0.48) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089192 0.71 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-31 US disclosed
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LAPTO CO., LTD. (KR) 2019-06-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device CHRM1, L1CAM, CHRM4 ALDH1A1 451/4885KDM4E 812/4885SMN1; SMN2 2913/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 ALDH1A1 451/4885KDM4E 812/4885SMN1; SMN2 2913/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.